BDBM384247 US10280184, Example F.1.10

SMILES: C=CC(=O)N1CC[C@@H](C1)c1cn2ccnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1

InChI Key: InChIKey=PYPZSYZZOUOKOB-INIZCTEOSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 384247   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM384247 (US10280184, Example F.1.10) Show SMILES C=CC(=O)N1CC[C@@H](C1)c1cn2ccnc2c(Nc2ccc3CCCC(=O)Nc3c2)n1 |r| Show InChI InChI=1S/C23H24N6O2/c1-2-21(31)28-10-8-16(13-28)19-14-29-11-9-24-23(29)22(27-19)25-17-7-6-15-4-3-5-20(30)26-18(15)12-17/h2,6-7,9,11-12,14,16H,1,3-5,8,10,13H2,(H,25,27)(H,26,30)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description The in-house BTK corresponds to recombinant human catalytic domain (aa 393-659), which was expressed in SF9 cells with an N-terminal his tag and puri...				J Med Chem 51: 6725-39 (2008) BindingDB Entry DOI: 10.7270/Q2PR7Z9P
					More data for this Ligand-Target Pair